⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13397617 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL7014388 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL18663893 | 0.70 | — | — | |
| SCHEMBL10134052 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL12081656 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL2230323 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL13310853 | 0.62 | — | — | |
| SCHEMBL14139043 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL5190873 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL5492205 | 0.58 | KDM4E (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5378720-A | Treatment of rheumatoid arthritis, emphysema, pancreatitis | STERLING WINTHROP INC. (US) | 1995-01-03 | — | — | US | disclosed |
| EP-0626378-A1 | Saccharin derivative proteolytic enzyme inhibitors | STERLING WINTHROP INC. (US) | 1994-11-30 | — | — | EP | disclosed |